SCHEMBL18925680

SCHEMBL18925680

CCCCOC(=O)C1(C)C=C(c2ccc(N)cn2)CC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16094831 0.85 PKM (0.46) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL16095266 0.73 LMNA (0.38) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL16094884 0.69 PKM (0.46) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL17448814 0.68 TSHR (0.31) LMNACYP1A2TSHRCYP2C19RAB9A
SCHEMBL16095212 0.68 LPL (0.32) LMNACYP1A2TSHRCYP2C19ALDH1A1
SCHEMBL16094883 0.65 HSD11B1 (0.32) ALDH1A1
SCHEMBL28042930 0.65 TSHR (0.60) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL30180494 0.64 RAB9A (0.50) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL28588234 0.64 RAB9A (0.50) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3862877 0.63 LMNA (0.47) LMNACYP1A2CYP3A4CYP2C9TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158678-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-08 — — US disclosed
US-20170158678-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170158678-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS C-FMS KINASE INHIBITORS FLT3, ABL1, FES LMNA 3650/4885CYP1A2 2338/4885CYP3A4 2132/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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